4-[(1E)-4-aminocarbonyl-5-azanyl-5-oxidanylidene-penta-1,3-dienyl]-2-(4-carboxyphenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid

Systemtic Name: 4-[(1E)-4-aminocarbonyl-5-azanyl-5-oxidanylidene-penta-1,3-dienyl]-2-(4-carboxyphenyl)-3-oxidanylidene-1H-pyrazole-5-carboxylic acid Openeye Name: 4-[(1E)-5-amino-4-carbamoyl-5-oxo-penta-1,3-dienyl]-2-(4-carboxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid CAS Name: 4-[(1E)-5-amino-4-carbamoyl-5-oxopenta-1,3-dienyl]-2-(4-carboxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid IUPAC Name: 4-[(1E)-5-amino-4-carbamoyl-5-oxopenta-1,3-dienyl]-2-(4-carboxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid Traditional Name: 4-[(1E)-5-amino-4-carbamoyl-5-keto-penta-1,3-dienyl]-1-(4-carboxyphenyl)-5-keto-3-pyrazoline-3-carboxylic acid Formula: C17H14N4O7 MolecularWeight: 386.31566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)N2C(=O)C(=C(N2)C(=O)O)C=CC=C(C(=O)N)C(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)N2C(=O)C(=C(N2)C(=O)O)/C=C/C=C(C(=O)N)C(=O)N

InChI

InChI=1S/C17H14N4O7/c18-13(22)11(14(19)23)3-1-2-10-12(17(27)28)20-21(15(10)24)9-6-4-8(5-7-9)16(25)26/h1-7,20H,(H2,18,22)(H2,19,23)(H,25,26)(H,27,28)/b2-1+